Monomers

1-Octene

Identifiers

IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.2957    0.7957    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -0.3380   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756   -0.1363   -0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4859    0.0073    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049    0.2095    0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -0.9151   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786   -0.5951   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6773    0.5363    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    0.4083    0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1035    1.2318   -0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    1.6264    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9249   -0.4206   -1.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -1.3270   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8427    0.7140   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691   -1.0718   -1.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8642    0.9470    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031   -0.8442    1.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671    0.3875    1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193    1.1150   -0.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3511   -1.0593   -1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729   -1.8881    0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7864   -1.3505   -0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7554    0.6718    0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1055    1.2954    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers